MiXides: versatile, robust and earth-abundant materials for a new generation of green technologies

The green transition is characterised by a fast upscaling of new technologies, many relying on solid-state functional materials. Examples are solar cells, LEDs and batteries.

In all cases, better materials are needed to improve the sustainability of the technologies, focussing on elimination of critical elements but also, crucially, ensuring robustness and long operational lifetime.We focus on a new generation of versatile semiconductors: the multinary ionic chalcogenides (MiXides).

MiXides are extremely stable and free of critical elements, and they can provide an array of functional properties thanks to a structural diversity and defect tolerance that stems from their ionic character.

Initial studies are showing promise in multiple green tech applications, from solar cells and LEDs to lithium-sulfur batteries and superconductors.The problem is that the unusual chemistry of MiXides makes it difficult to produce high-quality samples by conventional means. This has hindered characterisation of their fundamental properties.

We will address this bottleneck, using specially adapted synthesis equipment employing automation and machine-learning, to enhance the quantity and quality of samples produced.

Using a combinatorial materials-exploration approach, we will make the first comprehensive investigation of functional properties, tunability and defect chemistry in an array of MiXides, leading to new progress in understanding and application of these exciting materials.